SCHEMBL11204697

SCHEMBL11204697

CCc1cc2c(NCCNC)nc(N3CCNCC3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TMIGD3 P0DMS9 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PRKCI P41743 3/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.39
KMT5A Q9NQR1 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KHK P50053 1/20 0.37
HTR2C P28335 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL11203169 0.92 P2RY12 (0.48) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11197747 0.90 KDM4E (0.53) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11203359 0.90 P2RY12 (0.47) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11199766 0.90 PRKCI (0.53) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11197165 0.90 P2RY12 (0.49) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11199721 0.89 P2RY12 (0.50) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11203889 0.87 MEN1 (0.46) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11206143 0.86 KDM4E (0.49) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11205665 0.84 KDM4E (0.44) P2RY12KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11198078 0.83 P2RY12 (0.48) P2RY12KDM4EALDH1A1SMN1; SMN2TMIGD3

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