SCHEMBL30114735

SCHEMBL30114735

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCOCC4)ccc3C)cc2F)nc1-c1cnn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
WDR5 P61964 4/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 4/20 0.43
GALR3 O60755 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 3/20 0.41
IGF1R P08069 1/20 0.41
GSK3B P49841 3/20 0.41
DYRK1A Q13627 3/20 0.41
LYN P07948 1/20 0.41
WNT1 P04628 1/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 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
SCHEMBL20190849 1.00 RAB9A (0.46) RAB9AWDR5ABL1BCRGALR3
SCHEMBL30114750 0.93 ABL1 (0.47) ABL1BCRLMNAEGFRGSK3B
SCHEMBL20190739 0.93 ABL1 (0.47) ABL1BCRLMNAEGFRGSK3B
SCHEMBL21799082 0.91 RAB9A (0.47) RAB9AWDR5GALR3LMNAMAPT
SCHEMBL30114860 0.91 RAB9A (0.47) RAB9AWDR5GALR3LMNAMAPT
SCHEMBL21799042 0.90 ABL1 (0.51) RAB9AABL1BCRGALR3LMNA
SCHEMBL30114678 0.90 ABL1 (0.51) RAB9AABL1BCRGALR3LMNA
SCHEMBL30530275 0.87 ABL1 (0.47) RAB9AWDR5ABL1
SCHEMBL20188432 0.87 ABL1 (0.47) RAB9AWDR5ABL1
SCHEMBL30530278 0.86 RAB9A (0.49) RAB9AWDR5SMN1; SMN2

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 3 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
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