SCHEMBL11205948

SCHEMBL11205948

CCc1cc2c(N)nc(N3CCCNCC3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.48
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TMIGD3 P0DMS9 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
UBE2N P61088 1/20 0.46
HTR6 P50406 1/20 0.43
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.40
IKBKB O14920 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL11197610 0.95 P2RY12 (0.52) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11205063 0.86 KDM4E (0.47) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11205731 0.84 KDM4E (0.46) P2RY12KDM4EALDH1A1APAF1POLB
SCHEMBL11199830 0.83 HTR6 (0.61) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11200264 0.83 HTR6 (0.48) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11203412 0.81 HTR6 (0.49) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11206143 0.80 KDM4E (0.49) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11197283 0.80 SMN1; SMN2 (0.46) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A
SCHEMBL11197408 0.79 KDM4E (0.52) P2RY12KDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL11199721 0.79 P2RY12 (0.50) P2RY12KDM4ESMN1; SMN2TMIGD3RAB9A

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-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed