SCHEMBL4711702

SCHEMBL4711702

CCCc1cc(C(=O)c2cncc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnn12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.50
▸ NTRK2 Q16620 5/20 0.50
▸ NTRK3 Q16288 1/20 0.40
▸ ACVRL1 P37023 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL1924558 0.86 NTRK1 (0.61) NTRK1NTRK2NTRK3ACVRL1HTT
SCHEMBL4708490 0.83 NTRK1 (0.52) NTRK1NTRK2NTRK3ACVRL1AURKA
SCHEMBL12537484 0.79 NTRK1 (0.48) NTRK1NTRK2NTRK3
SCHEMBL1924225 0.77 NTRK1 (0.67) NTRK1NTRK2NTRK3ACVRL1
SCHEMBL3980576 0.76 NTRK1 (0.69) NTRK1NTRK2AURKAAURKB
SCHEMBL12537616 0.76 NTRK1 (0.68) NTRK1NTRK2NTRK3POLBMAPT
SCHEMBL12537492 0.75 NTRK2 (0.51) NTRK1NTRK2POLBMAPTRAB9A
SCHEMBL1924406 0.75 NTRK1 (0.78) NTRK1NTRK2NTRK3HTTRAB9A
SCHEMBL4078145 0.75 NTRK1 (0.58) NTRK1NTRK2NTRK3
SCHEMBL4081608 0.73 NTRK1 (0.73) NTRK1NTRK2NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948664-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-30 — — EP claimed
WO-2007061882-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO claimed
Send feedback