SCHEMBL30987339

SCHEMBL30987339

CCOC(=O)C(F)n1cnc2ccc(Br)c(Cl)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.44
CCNB1 P14635 4/20 0.44
GSK3A P49840 4/20 0.44
GSK3B P49841 4/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNF P01375 1/20 0.36
BRAF P15056 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL31723359 0.77 BRAF (0.34) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL31723386 0.75 CDK1 (0.32) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29440625 0.70 SMN1; SMN2 (0.41) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL22807312 0.70 SMN1; SMN2 (0.41) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL31186586 0.70 SMN1; SMN2 (0.41) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29701183 0.70 CDK1 (0.39) CDK1CCNB1GSK3AGSK3BCDK5
SCHEMBL29969954 0.70 BRAF (0.42) BRAFL3MBTL1
SCHEMBL30987326 0.68 BRAF (0.36) BRAF
SCHEMBL24879123 0.67 BRAF (0.46) TSHRALDH1A1KDM4ENPC1GAA
SCHEMBL31723352 0.67 BRAF (0.38) CDK1CCNB1GSK3AGSK3BTNF

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