SCHEMBL13770754

SCHEMBL13770754

Fc1cccc(CCNc2nccc(-c3cccc(CNC4CCNC4)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.42
NTRK1 P04629 7/20 0.39
CDK9 P50750 1/20 0.39
KCNH2 Q12809 1/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
MAP4K4 O95819 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
PRKCQ Q04759 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL22410736 0.89 CCNT1 (0.42) CCNT1NTRK1CDK9KCNH2MAP4K4
SCHEMBL12343793 0.88 CCNT1 (0.37) CCNT1NTRK1CDK9KCNH2PRKCQ
SCHEMBL1469149 0.84 IKBKB (0.44) CCNT1NTRK1CDK9KCNH2MAP4K4
SCHEMBL1468127 0.84 PRKCQ (0.41) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL1468011 0.83 KCNH2 (0.36) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL12343855 0.83 KCNH2 (0.36) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL13770762 0.83 KCNH2 (0.36) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL12344184 0.81 SLC6A2 (0.43) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL12343867 0.81 SLC6A2 (0.43) CCNT1CDK9KCNH2MKNK1MKNK2
SCHEMBL13770618 0.80 OGA (0.38) CCNT1CDK9MKNK1MKNK2HTR6

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-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed