SCHEMBL18688554

SCHEMBL18688554

C=C(C)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.57
CHEK1 O14757 11/20 0.57
FGFR1 P11362 3/20 0.57
CDK4 P11802 2/20 0.57
BMPR1B O00238 1/20 0.57
PLK4 O00444 1/20 0.57
STK25 O00506 1/20 0.57
CIT O14578 1/20 0.57
RIOK3 O14730 1/20 0.57
IKBKB O14920 1/20 0.57
AURKA O14965 1/20 0.57
GAK O14976 1/20 0.57
DCLK1 O15075 1/20 0.57
CHUK O15111 1/20 0.57
MUSK O15146 1/20 0.57
EPHB6 O15197 1/20 0.57
PDPK1 O15530 1/20 0.57
MAP3K13 O43283 1/20 0.57
DAPK3 O43293 1/20 0.57
MAP3K7 O43318 1/20 0.57

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
SCHEMBL22130477 0.84 MAPT (0.55) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL1597265 0.82 KDR (0.65) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL1597267 0.82 KDR (0.65) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL18844727 0.81 CHEK1 (0.53) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL27691457 0.81 CHEK1 (0.53) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL2458766 0.80 CHEK1 (0.67) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL2458765 0.80 CHEK1 (0.67) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL1596784 0.80 KDR (0.60) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL1597445 0.80 KDR (0.60) KDRCHEK1FGFR1CDK4BMPR1B
SCHEMBL1596786 0.80 KDR (0.60) KDRCHEK1FGFR1CDK4BMPR1B

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-2017053638-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2017-03-30 WO disclosed