SCHEMBL31111676

SCHEMBL31111676

Nc1nccc(-c2ccc(N3CCNCC3)c(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
MAP4K4 O95819 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CDK2 P24941 2/20 0.49
CDC7 O00311 1/20 0.49
ROCK2 O75116 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
KMO O15229 1/20 0.45
KCNH2 Q12809 1/20 0.44
PIM1 P11309 3/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
ACVR1 Q04771 3/20 0.43
KDR P35968 2/20 0.43
BMPR1A P36894 2/20 0.43
ACVR1B P36896 2/20 0.43
ACVRL1 P37023 2/20 0.43
PRKACA P17612 2/20 0.43
MAPK13 O15264 1/20 0.43

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
SCHEMBL31111660 0.86 KMO (0.59) HRH3MAP4K4CLK4CDK2CDC7
SCHEMBL31112078 0.78 MAPK14 (0.47) MAP4K4CLK4CDK2CDC7ROCK2
SCHEMBL1199430 0.76 BMPR1A (0.49) KCNH2PIM1PIM3PIM2ACVR1
SCHEMBL8226204 0.74 BMPR1A (0.40) CDK2KCNH2PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL3267673 0.74 KCNH2 (0.54) CLK4ROCK2KMOKCNH2CHUK
SCHEMBL31485227 0.74 TBK1 (0.42) MAP4K4CLK4CDK2CDC7ROCK2
SCHEMBL31106272 0.73 HRH3 (0.52) HRH3MAP4K4CLK4CDK2CDC7
SCHEMBL8220996 0.72 POLB (0.50) CDK2
SCHEMBL31106276 0.72 HRH3 (0.51) HRH3MAP4K4CLK4CDK2CDC7
SCHEMBL29493726 0.72 ALDH1A1 (0.61) MAPK1

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed