SCHEMBL30987358

SCHEMBL30987358

COC(C)Cn1ccc2ccc(Sc3cnc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cn3)c(Cl)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 18/20 0.41
CDK4 P11802 6/20 0.37
CCND3 P30281 6/20 0.37
CCNK O75909 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
CDK6 Q00534 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL30987343 0.88 PTPN11 (0.46) PTPN11
SCHEMBL30987320 0.86 PTPN11 (0.51) PTPN11CDK4CCND3CCNKCCNE2
SCHEMBL30987329 0.84 PTPN11 (0.53) PTPN11
SCHEMBL30987322 0.82 PTPN11 (0.42) PTPN11
SCHEMBL31050020 0.81 PTPN11 (0.45) PTPN11
SCHEMBL25394480 0.80 PTPN11 (0.52) PTPN11
SCHEMBL31050040 0.80 PTPN11 (0.52) PTPN11
SCHEMBL30987289 0.80 PTPN11 (0.48) PTPN11
SCHEMBL31050065 0.79 PTPN11 (0.48) PTPN11
SCHEMBL25395506 0.78 PTPN11 (0.55) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed
WO-2024147703-A1 SHP2 INHIBITOR AND USES THEREOF 주식회사 카나프테라퓨틱스 2024-07-11 WO disclosed