SCHEMBL24699083

SCHEMBL24699083

OCc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
MMP13 P45452 6/20 0.37
PIK3CA P42336 2/20 0.36
IGF1R P08069 2/20 0.34
GBA1 P04062 1/20 0.34
ACVRL1 P37023 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 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
SCHEMBL24698198 0.88 KDM4E (0.36) DRD2HTR2AMMP13KDM4ESMN1; SMN2
SCHEMBL24699086 0.84 MTOR (0.37) DRD2HTR2AMMP13ACVRL1KDM4E
SCHEMBL30016011 0.84 MTOR (0.37) DRD2HTR2AMMP13ACVRL1KDM4E
SCHEMBL24698205 0.81 KHK (0.34) DRD2HTR2AMMP13ACVRL1
SCHEMBL24698524 0.81 HRH2 (0.39) PIK3CAIGF1RGBA1KDM4EALDH1A1
SCHEMBL24699042 0.81 CYP11B2 (0.48) KDM4E
SCHEMBL24699476 0.80 GBA1 (0.39) PIK3CAGBA1KDM4EALDH1A1HSD17B10
SCHEMBL24698813 0.77 IGF1R (0.37) DRD2HTR2AIGF1RGBA1KDM4E
SCHEMBL24697795 0.76 ALDH1A1 (0.40) PIK3CAIGF1RGBA1KDM4EALDH1A1
SCHEMBL24699481 0.76 GBA1 (0.39) PIK3CAIGF1RGBA1KDM4EALDH1A1

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed