SCHEMBL24384656

SCHEMBL24384656

Clc1cnnc2cc(N3CCOCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
KCNH2 Q12809 4/20 0.44
LRRK2 Q5S007 2/20 0.44
CSF1R P07333 1/20 0.44
PDGFRA P16234 1/20 0.44
CNR2 P34972 2/20 0.43
SOS1 Q07889 1/20 0.41
LGMN Q99538 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL24384611 0.78 PRKDC (0.52) PRKDCPIK3CDPIK3CAPIK3CBCNR2
SCHEMBL24384618 0.76 PRKDC (0.50) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL26604580 0.74 PRKDC (0.47) PRKDCPIK3CDPIK3CAPIK3CBCNR2
SCHEMBL24384624 0.73 PRKDC (0.52) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL14972404 0.72 PRKDC (0.49) PRKDCPIK3CDPIK3CAPIK3CBLRRK2
SCHEMBL2419958 0.72 PRKDC (0.67) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL31302329 0.72 PRKDC (0.52) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL2421027 0.72 PRKDC (0.52) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL30493084 0.71 C1S (0.58) PRKDCSOS1TP53MAPTALOX15
SCHEMBL9864307 0.71 MAPT (0.65) CNR2LGMNNPC1MAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3992189-A1 QUINAZOLINE AND CINNOLINE DERIVATIVES AS DNA-PK INHIBITOR Medshine Discovery Inc. (CN) 2022-05-04 EP disclosed