SCHEMBL31420103

SCHEMBL31420103

CC(C)(C)C(=O)Nc1cc(Cl)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RORC P51449 1/20 0.47
MAPT P10636 2/20 0.47
GSK3A P49840 1/20 0.47
MAPK10 P53779 1/20 0.47
RIOK2 Q9BVS4 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FGFR4 P22455 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 1/20 0.43
BRAF P15056 1/20 0.43
GRM5 P41594 2/20 0.43
ADORA1 P30542 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL209579 1.00 LMNA (0.49) LMNARORCMAPTGSK3AMAPK10
SCHEMBL26085118 0.84 RORC (0.49) LMNARORCMAPTGSK3AMAPK10
SCHEMBL18785787 0.81 LMNA (0.53) LMNAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2035487 0.81 LMNA (0.68) LMNAMAPTCYP1A2CYP2C19MEN1
SCHEMBL29728783 0.81 JAK2 (0.56) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL1122640 0.81 JAK2 (0.56) MAPTGSK3AMAPK10RIOK2NPSR1
SCHEMBL25240657 0.80 LMNA (0.49) LMNAMAPTRIOK2CYP1A2CYP3A4
SCHEMBL12516546 0.80 LMNA (0.49) LMNAMAPTNPSR1CYP1A2CYP3A4
SCHEMBL14809290 0.80 ABL1 (0.50) LMNARORCMAPTCYP1A2CYP3A4
SCHEMBL437390 0.80 ATR (0.52) MAPTGSK3AMAPK10RIOK2NPSR1

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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
CN-119562812-A Substituted N- (pyridin-2-yl) acetamide derivatives as CDK12/13 inhibitors 奥里吉恩肿瘤学有限公司 2025-03-04 CN disclosed