SCHEMBL29536658

SCHEMBL29536658

CSc1ncc2cc(Br)c(NCCCO)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 11/20 0.39
▸ AKT2 P31751 11/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ FLT4 P35916 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DCLK1 O15075 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ FES P07332 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ PHKG2 P15735 1/20 0.38

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
SCHEMBL25271560 1.00 AKT1 (0.39) AKT1AKT2CYP1A2FGFR1FLT1
SCHEMBL25227024 0.94 AKT1 (0.39) AKT1AKT2CYP1A2CYP3A4CYP2D6
SCHEMBL29536669 0.94 AKT1 (0.39) AKT1AKT2CYP1A2CYP3A4CYP2D6
SCHEMBL25278070 0.87 CYP1A2 (0.40) AKT1AKT2CYP1A2CYP3A4CYP2D6
SCHEMBL29537498 0.81 AKT1 (0.34) AKT1AKT2HTTALDH1A1
SCHEMBL25271264 0.81 AKT1 (0.34) AKT1AKT2HTTALDH1A1
SCHEMBL25227955 0.79 CDK1 (0.39) AKT1AKT2CDK1CDK2KDR
SCHEMBL25227902 0.79 CDK1 (0.39) AKT1AKT2CDK1CDK2KDR
SCHEMBL24271449 0.79 AKT1 (0.34) AKT1AKT2CYP3A4CYP2D6PRKD3
SCHEMBL29503634 0.79 AKT1 (0.34) AKT1AKT2CYP3A4CYP2D6PRKD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
Send feedback