SCHEMBL19683630

SCHEMBL19683630

CNC(=O)c1ccc(C(=N)c2c(N)ncnc2Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.47
RET P07949 9/20 0.43
BRAF P15056 3/20 0.43
FLT3 P36888 5/20 0.41
NTRK1 P04629 3/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
RIPK1 Q13546 1/20 0.40
MAPK13 O15264 1/20 0.40
MAP3K7 O43318 1/20 0.40
CCNT1 O60563 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
CDK4 P11802 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL19683715 0.92 RAF1 (0.59) RAF1RETBRAFFLT3NTRK1
SCHEMBL19683697 0.88 RET (0.44) RAF1RETBRAFFLT3NTRK1
SCHEMBL19683646 0.86 RET (0.40) RAF1RETBRAFFLT3NTRK1
SCHEMBL23047310 0.86 RET (0.41) RAF1RETBRAFFLT3NTRK1
SCHEMBL20878909 0.86 RET (0.45) RAF1RETBRAFFLT3NTRK1
SCHEMBL19683706 0.86 RET (0.41) RAF1RETBRAFFLT3NTRK1
SCHEMBL23047347 0.84 RAF1 (0.48) RAF1RETBRAFFLT3MAPK13
SCHEMBL23047345 0.84 RET (0.46) RAF1RETBRAFFLT3NTRK1
SCHEMBL19683650 0.82 RET (0.38) RAF1RETBRAFFLT3NTRK1
SCHEMBL19683696 0.82 FLT3 (0.59) RAF1RETBRAFFLT3NTRK1

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