SCHEMBL26869184

SCHEMBL26869184

C=CC(C)(C)c1cc(N)n2ncc(C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL26873554 0.84 KDM4E (0.36) KDM4EMEN1NPC1KMT2AMAPT
SCHEMBL26870979 0.83 KDM4E (0.36) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL26869154 0.81 KDM4E (0.34) KDM4ENPC1MAPTRAB9AMAPK1
SCHEMBL26868395 0.76 PIM1 (0.36) KDM4EMEN1NPC1KMT2AMAPT
SCHEMBL26868111 0.76 PIM1 (0.36) KDM4EMEN1NPC1KMT2AMAPT
SCHEMBL26871792 0.75 CSNK2B (0.46) KDM4EMEN1NPC1KMT2AMAPT
SCHEMBL26871796 0.73 CDK9 (0.48) CYP1A2CCNA2CDK2CCNA1
SCHEMBL26869183 0.72 KDM4E (0.40) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL26871218 0.70 KDM4E (0.34) KDM4EMAPTRAB9AALDH1A1CCNA2
SCHEMBL26871243 0.68 KDM4E (0.33) KDM4EMAPTRAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
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