SCHEMBL27673989

SCHEMBL27673989

Nc1nc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.55
▸ CDK2 P24941 2/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPK10 P53779 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
SCHEMBL6981381 0.88 HRH4 (0.62) HRH4CDK2CDK1ADORA2AADORA1
SCHEMBL5439307 0.81 IKBKB (0.58) HRH4CDK2CDK1HRH3IKBKB
SCHEMBL6979605 0.74 DRD2 (0.59) HRH4CDK2CDK1ADORA2AADORA1
SCHEMBL6976152 0.73 HRH4 (0.57) HRH4CDK2CDK1DRD2DRD4
SCHEMBL13490451 0.72 MEN1 (0.55) MEN1KMT2AHPGDSGABRA1GABRB2
SCHEMBL6968638 0.71 KMT2A (0.57) HRH4CDK2CDK1MAPTMEN1
SCHEMBL5750484 0.71 CDK1 (0.43) HRH4CDK2CDK1ADORA2AADORA1
SCHEMBL5426575 0.70 IKBKB (0.67) HRH4CDK2CDK1IKBKB
SCHEMBL13724266 0.70 HTR2A (0.48) ALDH1A1HSD17B10HRH1GABRA1GABRB2
SCHEMBL13257214 0.69 HRH4 (0.70) HRH4CDK2CDK1HRH3

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
CN-1942463-A 2-aminopyridine derivative ASTELLAS PHARMA INC (JP) 2007-04-04 — — CN claimed
CN-1942463-A 2-aminopyridine derivative ASTELLAS PHARMA INC (JP) 2007-04-04 — — CN disclosed
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