SCHEMBL29578573

SCHEMBL29578573

Cn1ccc(-c2nnc(Cl)cc2OCC2CN(C(=O)OC(C)(C)C)CCO2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 7/20 0.48
▸ EPHB4 P54760 2/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ BUB1 O43683 1/20 0.41
▸ KDR P35968 3/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 3/20 0.37
▸ P2RX3 P56373 3/20 0.37
▸ P2RX2 Q9UBL9 3/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ MALT1 Q9UDY8 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
SCHEMBL22944176 1.00 EPHA2 (0.48) EPHA2EPHB4ERBB2BUB1KDR
SCHEMBL22944175 0.84 EPHA2 (0.52) EPHA2EPHB4ERBB2BUB1KDR
SCHEMBL22944177 0.82 EPHA2 (0.43) EPHA2EPHB4ERBB2BUB1CSF1R
SCHEMBL29578331 0.82 EPHA2 (0.43) EPHA2EPHB4ERBB2BUB1CSF1R
SCHEMBL22943840 0.76 EPHA2 (0.48) EPHA2EPHB4ERBB2BUB1CSF1R
SCHEMBL29578513 0.76 EPHA2 (0.48) EPHA2EPHB4ERBB2BUB1CSF1R
SCHEMBL4510923 0.75 EPHA2 (0.54) EPHA2EPHB4ERBB2RETNR1H4
SCHEMBL20241498 0.75 EPHA2 (0.50) EPHA2EPHB4ERBB2BUB1KDR
SCHEMBL29827125 0.75 EPHA2 (0.51) EPHA2EPHB4ERBB2BUB1KDR
SCHEMBL20241598 0.75 EPHA2 (0.49) EPHA2EPHB4ERBB2BUB1KDR

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
EP-4007757-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF Integral Biosciences Pvt. Ltd. (IN) 2022-06-08 — — EP disclosed
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