SCHEMBL29165247

SCHEMBL29165247

COc1ccc(COc2cc3c(cc2F)CN(c2ccc(OC)cn2)C3=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.43
▸ CSF1R P07333 1/20 0.38
▸ PIK3CG P48736 2/20 0.35
▸ CSNK1A1 P48729 3/20 0.35
▸ CSNK1D P48730 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ CSNK1G2 P78368 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ IKZF2 Q9UKS7 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ SYK P43405 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
SCHEMBL29986708 0.92 FGFR1 (0.37) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL24667651 0.92 FGFR1 (0.37) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL29165253 0.91 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL24667720 0.91 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL29987560 0.91 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL24667358 0.90 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL24667405 0.90 GRM5 (0.38) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL29987217 0.90 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL24667401 0.90 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D
SCHEMBL29987383 0.90 GRM5 (0.36) GRM5CSF1RPIK3CGCSNK1A1CSNK1D

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
CN-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 — — CN disclosed
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