SCHEMBL8946387

SCHEMBL8946387

O=C(Nc1ccccc1)Nc1ccncn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
PIM1 P11309 2/20 0.68
ADORA3 P0DMS8 1/20 0.68
ADORA2A P29274 1/20 0.68
ADORA2B P29275 1/20 0.68
ADORA1 P30542 1/20 0.68
FLT3 P36888 1/20 0.68
PIM3 Q86V86 1/20 0.68
AURKB Q96GD4 1/20 0.68
TAAR1 Q96RJ0 1/20 0.66
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.57
EPHX2 P34913 2/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
CHRNB2 P17787 1/20 0.55

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
SCHEMBL5460969 0.82 LMNA (0.51) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL9317689 0.81 RAB9A (1.00) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL305498 0.80 TAAR1 (1.00) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL17664185 0.79 KDR (0.67) NPC1RAB9ALMNATP53KMT2A
SCHEMBL5264810 0.78 CHRNB2 (0.55) NPC1RAB9ATAAR1LMNAEPHX2
SCHEMBL8807003 0.78 CHRNB2 (0.64) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL28755924 0.77 EPHX2 (0.54) SMN1; SMN2LMNAEPHX2CHRNB2CHRNB4
SCHEMBL14517928 0.77 RAB9A (0.72) NPC1RAB9ASMN1; SMN2PIM1ADORA3
SCHEMBL6906687 0.76 ROCK2 (0.60) NPC1RAB9ASMN1; SMN2EPHX1CHRNB2
SCHEMBL4929333 0.76 KDR (0.71) FLT3TAAR1KMT2AMEN1IMPDH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed
EP-0052668-B1 N-(4-PYRIDAZINYL)-N'-PHENYLUREAS AND -THIOUREAS AS WELL AS PLANT GROWTH REGULATORS CONTAINING SAME Shudo, Koichi, Prof. Dr. (JP) 1984-03-14 EP disclosed
US-4397678-A ACCELERATION AND SUPPRESSION Okamoto, Toshihiko (JP) 1983-08-09 US disclosed
US-4331807-A Pyridazine urea plant growth regulators Okamoto, Toshihiko (JP) 1982-05-25 US disclosed
US-4053475-A ANTI-ALLERGIC AGENTS STERLING DRUG INC. (US) 1977-10-11 US disclosed
US-4008235-A ANTIALLERGIC STERLING DRUG INC. (US) 1977-02-15 US disclosed