SCHEMBL20074997

SCHEMBL20074997

O=C(OCCl)c1n[nH]c(-c2ccc(F)cc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.36
MAPT P10636 2/20 0.36
SERPINE1 P05121 1/20 0.35
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
RPA1 P27694 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAPK14 Q16539 3/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
HAO2 Q9NYQ3 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
GCGR P47871 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL24114810 0.86 NPC1 (0.48) MAPTNPC1LMNARAB9ATRPM8
SCHEMBL10172622 0.72 KDM4E (0.56) MAPTNPC1LMNARAB9ATRPM8
SCHEMBL20074995 0.71 GRM5 (0.43) NPC1LMNARAB9A
SCHEMBL10172725 0.69 KDM4E (0.43) MAPTALPLNPC1RAB9AALOX5
SCHEMBL20075637 0.69 GABRA2 (0.43) MAPTNPC1LMNARAB9ATRPM8
SCHEMBL10172646 0.68 KDM4C (0.51) MAPTALPLRAB9A
SCHEMBL557321 0.67 MAPT (0.51) MAPTNPC1LMNARAB9A
SCHEMBL14705878 0.66 GCGR (0.49) MAPTNPC1LMNARAB9ATRPM8
SCHEMBL30639631 0.65 MAPK14 (0.47) ALKMAPTNPC1RAB9AMAPK14
SCHEMBL4964605 0.65 HAO2 (0.53) MAPTCA12ALPLRPA1LMNA

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
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed