SCHEMBL9215893

SCHEMBL9215893

CN(C)c1nc2ncccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.58
NUDT1 P36639 1/20 0.55
METAP1 P53582 2/20 0.49
METAP2 P50579 1/20 0.49
PDE5A O76074 5/20 0.47
KCNMA1 Q12791 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 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
SCHEMBL805045 0.79 NUDT1 (0.60) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL16105055 0.74 AURKA (0.45) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL1170747 0.74 METAP1 (0.72) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL3936352 0.74 AURKA (0.50) AURKANUDT1METAP1METAP2PDE5A
Hydrochloric Acid SCHEMBL9396770 0.73 AURKA (0.49) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL31490802 0.72 NUDT1 (0.62) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL239645 0.72 NUDT1 (0.62) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL3960231 0.71 CYP2C9 (0.57) AURKANUDT1METAP1METAP2PDE5A
SCHEMBL17967942 0.71 KMT2A (0.47) PDE5ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL358399 0.71 LMNA (0.62) NUDT1HPGDNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP disclosed
US-5359073-A Substituted-phenyl (N,N'-cycloalkyl/alkyl carboxamide)-1H/3H-imidazo[4,5-b]pyridine compounds as PAF antagonists G. D. SEARLE & CO. (US) 1994-10-25 US disclosed