SCHEMBL30833192

SCHEMBL30833192

Nc1cc2ncc(F)cn2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PIK3CG P48736 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ATR Q13535 2/20 0.30
ESR1 P03372 1/20 0.30
POLB P06746 1/20 0.30
ESR2 Q92731 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL16478034 0.80 LMNA (0.38) LMNAPIK3CGPIK3CDPIK3CAKDM4E
SCHEMBL30309953 0.77 NPC1 (0.41) LMNAPIK3CGPIK3CDPIK3CAKDM4E
SCHEMBL22027717 0.77 TDP1 (0.47) LMNAKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL31710911 0.77 NPC1 (0.56) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5310147 0.69 AHR (0.50) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31351998 0.65 LMNA (0.51) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5435763 0.64 APOBEC3A (0.53) PIK3CGPIK3CDPIK3CA
SCHEMBL30827999 0.64 BRAF (0.34) ATR
SCHEMBL24198306 0.63 ATR (0.42) ATR
SCHEMBL24198153 0.63 ATR (0.47) ATR

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-3947375-B1 IMIDAZOLONYLQUINOLINE COMPOUNDS AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2024-04-03 EP claimed