SCHEMBL30114643

SCHEMBL30114643

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCN(C)CC4)ccc3C)cc2)nc1-c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.52
KIT P10721 8/20 0.52
BCR P11274 7/20 0.52
ABL2 P42684 5/20 0.52
PDGFRA P16234 3/20 0.52
EGFR P00533 3/20 0.52
BRAF P15056 3/20 0.52
ERBB2 P04626 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
CSF1R P07333 2/20 0.52
LYN P07948 2/20 0.52
PDGFRB P09619 2/20 0.52
FGR P09769 2/20 0.52
SRC P12931 2/20 0.52
NQO2 P16083 2/20 0.52
EPHA8 P29322 2/20 0.52
FRK P42685 2/20 0.52
BLK P51451 2/20 0.52
DDR1 Q08345 2/20 0.52

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
SCHEMBL21799050 1.00 ABL1 (0.52) ABL1KITBCRABL2PDGFRA
SCHEMBL30530290 0.92 JAK2 (0.49) ABL1KITBCRABL2PDGFRA
SCHEMBL21799091 0.92 JAK2 (0.49) ABL1KITBCRABL2PDGFRA
SCHEMBL21799066 0.91 ABL1 (0.54) ABL1KITBCRABL2PDGFRA
SCHEMBL30530294 0.91 ABL1 (0.54) ABL1KITBCRABL2PDGFRA
SCHEMBL21799098 0.89 AXL (0.51) ABL1KITBCRABL2PDGFRA
SCHEMBL30530302 0.89 AXL (0.51) ABL1KITBCRABL2PDGFRA
SCHEMBL30114791 0.87 ABL1 (0.51) ABL1KITBCRABL2PDGFRA
SCHEMBL20188202 0.87 ABL1 (0.51) ABL1KITBCRABL2PDGFRA
SCHEMBL21799061 0.87 ABL1 (0.41) ABL1KITBCRPDGFRAPDGFRB

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 4 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
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP 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
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