SCHEMBL3624554

SCHEMBL3624554

c1nc(-n2cncn2)cc(-n2cncn2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3627722 0.86 PIM1 (0.38) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL14970142 0.86 PIM1 (0.38) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL558050 0.86 PIM1 (0.38) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL7263765 0.81 HRH4 (0.41) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL9295292 0.81 PIM1 (0.36) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL13086864 0.81 PIM1 (0.36) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL9295295 0.81 PIM1 (0.36) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL9294644 0.78 PIM1 (0.35) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6
SCHEMBL559553 0.77 PIM1 (0.34) PIM1KDM4EALDH1A1MAPT
SCHEMBL31507714 0.76 ADORA2A (0.43) PIM1KDM4ESMN1; SMN2ALDH1A1CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005212-A Porous coordination polymer with interpenetrating framework, preparation method and application of porous coordination polymer in ethane/ethylene high-temperature separation 南京工业大学 2025-05-16 CN disclosed
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
WO-2010119879-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
WO-2010119878-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
WO-2010119879-A1 PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 WO disclosed
EP-0430471-B1 Fungicides ZENECA LTD (GB) 1994-09-07 EP disclosed
US-5314892-A Fungicidal pyrimidinyloxyphenyl-3-methoxy propenoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5179098-A Substituted, methoxypropenoate pyrimidines, plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0430471-A1 Fungicides ZENECA LIMITED (GB) 1991-06-05 EP disclosed