SCHEMBL19683755

SCHEMBL19683755

CC(C)N1CCN(C(=O)c2ccc(C(=N)c3c(N)ncnc3Nc3ccc(Nc4cc(C(C)(C)C)on4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.44
BRAF P15056 5/20 0.42
FLT3 P36888 4/20 0.40
CSF1R P07333 2/20 0.39
EPHX2 P34913 1/20 0.38
NTRK1 P04629 2/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
MAPK13 O15264 1/20 0.37
MAP3K7 O43318 1/20 0.37
CCNT1 O60563 1/20 0.37
RAF1 P04049 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
CDK4 P11802 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 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
SCHEMBL23047345 0.90 RET (0.46) RETBRAFFLT3CSF1RNTRK1
SCHEMBL20878980 0.83 FLT3 (0.53) RETBRAFFLT3CSF1RNTRK1
SCHEMBL19683630 0.82 RAF1 (0.47) RETBRAFFLT3CSF1RNTRK1
SCHEMBL20878939 0.81 RET (0.51) RETBRAFFLT3CSF1RNTRK1
SCHEMBL19683697 0.81 RET (0.44) RETBRAFFLT3CSF1RNTRK1
SCHEMBL20878909 0.81 RET (0.45) RETBRAFFLT3CSF1RNTRK1
SCHEMBL19683646 0.79 RET (0.40) RETBRAFFLT3CSF1RNTRK1
SCHEMBL23047310 0.79 RET (0.41) RETBRAFFLT3CSF1RNTRK1
SCHEMBL19683650 0.79 RET (0.38) RETBRAFFLT3CSF1RNTRK1
SCHEMBL19683628 0.78 BRAF (0.43) RETBRAFFLT3CSF1RNTRK2

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-2017206962-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-12-07 WO disclosed