SCHEMBL30530282

SCHEMBL30530282

CCN(CC)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(OC)c(-c4ccc(C#N)cc4)n3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK3 P52333 3/20 0.47
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BMX P51813 3/20 0.41
DDR1 Q08345 1/20 0.41
MAPK14 Q16539 1/20 0.41
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL21799069 1.00 JAK2 (0.47) JAK2JAK3CYP2C9CYP2C19BMX
SCHEMBL30530308 0.87
SCHEMBL20190513 0.87
SCHEMBL21799098 0.86 AXL (0.51) JAK2JAK3DDR1MAPK14KDR
SCHEMBL30530302 0.86 AXL (0.51) JAK2JAK3DDR1MAPK14KDR
SCHEMBL30114852 0.84 BCHE (0.44)
SCHEMBL20187754 0.84 BCHE (0.44)
SCHEMBL20191208 0.84 JAK2 (0.58) JAK2JAK3MAPK14CDK1KDR
SCHEMBL21799068 0.81
SCHEMBL21799061 0.81 ABL1 (0.41) JAK2JAK3DDR1ABL1BCR

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 claimed
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