SCHEMBL23721303

SCHEMBL23721303

C=C(/C=C\C=C(/C)c1cncn1C1CC1)NC(=O)c1cc(-n2cnc3ccccc32)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ FGFR1 P11362 5/20 0.33
▸ MKNK2 Q9HBH9 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL947782 0.72 PIK3C3 (0.51) PIK3C3NPC1RAB9AFGFR1MKNK2
SCHEMBL23720730 0.67 MAP3K5 (0.36) PIK3C3MAP3K5
SCHEMBL22739074 0.66 MAP3K5 (0.43) MAP3K5
SCHEMBL945381 0.66 MAP3K5 (0.68) PIK3C3NPC1RAB9AFGFR1HPGD
SCHEMBL232177 0.64 MAP3K5 (0.49) PIK3C3MAP3K5MAPT
SCHEMBL23721197 0.61 CBLB (0.31) MAP3K5
SCHEMBL944268 0.61 MAP3K5 (0.65) PIK3C3HPGDMAP3K5TP53MAPT
SCHEMBL945475 0.59 MAP3K5 (0.43) MAP3K5
SCHEMBL25901122 0.57 HTT (0.59) PIK3C3FGFR1MKNK2MKNK1
SCHEMBL23721040 0.56 KDM4E (0.35) NPC1RAB9AALDH1A1SMN1; SMN2

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-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 — — EP disclosed
Send feedback