SCHEMBL6918294

SCHEMBL6918294

COc1c(Nc2ccc(N)cc2)ncnc1-c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.52
F11 P03951 3/20 0.52
F7 P08709 3/20 0.52
CYP2C9 P11712 1/20 0.52
F10 P00742 2/20 0.51
FGFR1 P11362 1/20 0.46
EGFR P00533 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL9607658 0.88 LMNA (0.47) F9F11F7CYP2C9F10
SCHEMBL1232774 0.85 F9 (0.53) F9F11F7CYP2C9F10
SCHEMBL6918463 0.81 F9 (0.76) F9F11F7CYP2C9F10
SCHEMBL9607645 0.80 F9 (0.41) F9F11F7CYP2C9F10
SCHEMBL6918107 0.80 F9 (0.74) F9F11F7CYP2C9F10
SCHEMBL1232235 0.79 F9 (0.45) F9F11F7CYP2C9F10
SCHEMBL4112104 0.78 NR4A1 (0.55) FGFR1EGFRNCOA1NCOA3TTBK1
SCHEMBL1233171 0.78 F9 (0.73) F9F11F7CYP2C9F10
SCHEMBL9607640 0.76 F9 (0.40) F9F11F7CYP2C9F10
SCHEMBL6918276 0.76 NR4A1 (0.46) EGFRTTBK1TTBK2RAB9AMAPK1

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
WO-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 WO disclosed