SCHEMBL19683650

SCHEMBL19683650

CC(C)[S+]([O-])Nc1ccc(C(=N)c2c(N)ncnc2Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.38
BRAF P15056 3/20 0.37
FLT3 P36888 3/20 0.36
NTRK1 P04629 3/20 0.36
NTRK3 Q16288 2/20 0.36
NTRK2 Q16620 2/20 0.36
CSF1R P07333 2/20 0.35
AURKB Q96GD4 2/20 0.35
RIPK1 Q13546 1/20 0.35
MAPK13 O15264 1/20 0.35
MAP3K7 O43318 1/20 0.35
CCNT1 O60563 1/20 0.35
RAF1 P04049 1/20 0.35
LYN P07948 1/20 0.35
HCK P08631 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK4 P11802 1/20 0.35
PDGFRA P16234 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
SCHEMBL19683697 0.85 RET (0.44) RETBRAFFLT3NTRK1NTRK3
SCHEMBL23047310 0.83 RET (0.41) RETBRAFFLT3NTRK1NTRK3
SCHEMBL19683646 0.83 RET (0.40) RETBRAFFLT3NTRK1NTRK3
SCHEMBL19683630 0.82 RAF1 (0.47) RETBRAFFLT3NTRK1NTRK3
SCHEMBL23047347 0.81 RAF1 (0.48) RETBRAFFLT3MAPK13RAF1
SCHEMBL19683755 0.79 RET (0.44) RETBRAFFLT3NTRK1NTRK3
SCHEMBL23047351 0.79 BRAF (0.41) RETBRAFFLT3NTRK1NTRK3
SCHEMBL20878856 0.78 FLT3 (0.40) RETBRAFFLT3NTRK1NTRK3
SCHEMBL19683648 0.78 LCK (0.45) RETBRAFFLT3NTRK1CSF1R
SCHEMBL23047345 0.78 RET (0.46) RETBRAFFLT3NTRK1NTRK3

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