SCHEMBL25715673

SCHEMBL25715673

C=CC(=O)Nc1ccc(-c2c(-c3ccc(C(=O)N4CCCC4)cc3)c3c(N)ncnn3c2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.45
▸ SRC P12931 2/20 0.45
▸ BLK P51451 2/20 0.45
▸ BTK Q06187 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ ITK Q08881 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ INSR P06213 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ IGF1R P08069 1/20 0.45

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
SCHEMBL25715685 0.86 PIK3CD (0.43) CDK2SRCBLKBTKPLK4
SCHEMBL25716909 0.83 FGFR1 (0.42) CDK2SRCBLKBTKEGFR
SCHEMBL25716911 0.83 KDR (0.44) CDK2SRCBLKBTKEGFR
SCHEMBL25715750 0.81 KDR (0.41) CDK2SRCBLKBTKEGFR
SCHEMBL25715556 0.81 KDR (0.46) CDK2SRCBLKBTKEGFR
SCHEMBL25715709 0.81 BTK (0.48) CDK2SRCBLKBTKEGFR
SCHEMBL22676808 0.81 BTK (0.49) CDK2SRCBLKBTKEGFR
SCHEMBL25715699 0.81 FGFR1 (0.46) CDK2SRCBLKBTKEGFR
SCHEMBL25715683 0.80 HPGD (0.43) CDK2SRCBLKBTKPLK4
SCHEMBL24773365 0.80 BTK (0.54) CDK2SRCBLKBTKEGFR

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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