SCHEMBL29434132

SCHEMBL29434132

Cn1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.49
▸ LRRK2 Q5S007 5/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ ATR Q13535 1/20 0.44
▸ ATRIP Q8WXE1 1/20 0.44
▸ RAF1 P04049 4/20 0.43
▸ BRAF P15056 3/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL24766055 1.00 PIM1 (0.49) PIM1LRRK2CCNCCDK8ATR
SCHEMBL3262674 0.87 LRRK2 (0.49) PIM1LRRK2CCNCCDK8ATR
SCHEMBL24766072 0.85 PIM1 (0.52) PIM1LRRK2MAPTKMT2ATSHR
SCHEMBL24766049 0.78 ROCK2 (0.40) RAF1BRAF
SCHEMBL29434090 0.78 ROCK2 (0.40) RAF1BRAF
SCHEMBL24766067 0.76 LRRK2 (0.48) LRRK2ATRMAPTKMT2ATSHR
SCHEMBL24766059 0.76 ATR (0.47) LRRK2ATRATRIPMAPTKMT2A
SCHEMBL17204101 0.76 MAPT (0.61) MAPTKMT2ATSHRMAPK1NPSR1
SCHEMBL3261500 0.74 RET (0.44) PIM1LRRK2FGFR3KDRKMT2A
SCHEMBL24766572 0.73 KMT2A (0.44) RAF1MAPTKMT2ANPSR1CYP1A2

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-2022060996-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-03-24 — — WO disclosed
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