SCHEMBL30114879

SCHEMBL30114879

CCN(CC)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(SC)c(-c4ccc(F)cc4)n3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
AURKA O14965 1/20 0.42
HTR2C P28335 1/20 0.42
MCHR1 Q99705 1/20 0.42
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41

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
SCHEMBL20187744 1.00 BCHE (0.46) BCHEAURKAHTR2CMCHR1CSNK1D
SCHEMBL20188166 0.92 AURKA (0.44) AURKAABL1
SCHEMBL30530307 0.92 AURKA (0.44) AURKAABL1
SCHEMBL30530317 0.91 BCHE (0.45) BCHEHTR2CMCHR1CSNK1DCSNK1E
SCHEMBL20188373 0.91 BCHE (0.45) BCHEHTR2CMCHR1CSNK1DCSNK1E
SCHEMBL30114852 0.88 BCHE (0.44) BCHEAURKAHTR2CMCHR1
SCHEMBL20187754 0.88 BCHE (0.44) BCHEAURKAHTR2CMCHR1
SCHEMBL20190260 0.86 AURKA (0.48) AURKAABL1BCR
SCHEMBL21799066 0.85 ABL1 (0.54) HTR2CMCHR1ABL1BCR
SCHEMBL30530294 0.85 ABL1 (0.54) HTR2CMCHR1ABL1BCR

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-110139692-B Heteroaryl amine compounds for modulating hedgehog pathway and methods of making and using the same 财团法人生物技术开发中心 2023-08-25 CN disclosed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed