SCHEMBL30479219

SCHEMBL30479219

COc1ccc(F)c(C(=O)NC2CC3(CCN(C)CC3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.46
WNT1 P04628 2/20 0.46
GPR119 Q8TDV5 1/20 0.41
CNR2 P34972 1/20 0.41
CPS1 P31327 5/20 0.41
P2RX7 Q99572 1/20 0.41
MCHR1 Q99705 1/20 0.40
HPGDS O60760 2/20 0.40
MGLL Q99685 1/20 0.39
NAAA Q02083 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL30923207 0.85 HTR4 (0.47) CPS1P2RX7HPGDSNAAA
SCHEMBL29535889 0.85 MCHR1 (0.50) DYRK1AWNT1MCHR1HRH3
SCHEMBL25772949 0.81 DYRK1A (0.44) DYRK1AWNT1
SCHEMBL30564259 0.80 ALDH1A1 (0.56) CNR2MCHR1
SCHEMBL2469758 0.79 HPGD (0.51) CNR2MCHR1HPGDS
SCHEMBL30804736 0.75 PARP1 (0.52) CPS1P2RX7HPGDSNAAAHRH3
SCHEMBL30804723 0.72 HPGDS (0.58) MCHR1HPGDSNAAA
SCHEMBL30938319 0.72 HTR4 (0.50) MCHR1HPGDSHRH3
SCHEMBL30564331 0.72 DYRK1A (0.46) DYRK1AWNT1P2RX7
SCHEMBL31438766 0.72 KMT2A (0.53) CNR2MCHR1

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-118574825-A Compounds as FAK inhibitors and uses thereof 微境生物医药科技(上海)有限公司 2024-08-30 CN disclosed
WO-2023160614-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-08-31 WO disclosed
WO-2023116527-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-06-29 WO disclosed