SCHEMBL30907460

SCHEMBL30907460

CCC(=O)c1cc(C)c(-c2cc3cnccc3cc2C#N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
PIP4K2A P48426 1/20 0.35
MAP4K1 Q92918 3/20 0.35
CFTR P13569 2/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PRMT3 O60678 1/20 0.33
XDH P47989 1/20 0.33
NOTUM Q6P988 2/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL30907409 0.83 MAP4K1 (0.36) ABL1MAP4K1KDM4EHSD17B10
SCHEMBL30907426 0.74 ABL1 (0.50) ABL1MAP4K1
SCHEMBL30907149 0.74 ABL1 (0.50) ABL1MAP4K1
SCHEMBL30907326 0.74 ABL1 (0.47) ABL1MAP4K1
SCHEMBL30907369 0.70 ABL1 (0.33) ABL1
SCHEMBL21240971 0.66 NOS3 (0.40) KDM4ETSHRHSD17B10
SCHEMBL30907413 0.66 ABL1 (0.57) ABL1
SCHEMBL30907529 0.66 ABL1 (0.57) ABL1
SCHEMBL28631402 0.65 MAP4K1 (0.49) CCNT1CDK9HASPINPIP4K2AMAP4K1
SCHEMBL29930315 0.65 MAP4K1 (0.49) CCNT1CDK9HASPINPIP4K2AMAP4K1

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed