SCHEMBL17967836

SCHEMBL17967836

Nc1ccnc(N)c1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TLR9 Q9NR96 6/20 0.40
▸ TLR8 Q9NR97 6/20 0.40
▸ TLR7 Q9NYK1 6/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PRKACB P22694 1/20 0.37

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
SCHEMBL4367345 0.90 ROCK1 (0.39) ROCK1MKNK1MKNK2HRH3ROCK2
SCHEMBL4367350 0.90 ROCK1 (0.39) ROCK1MKNK1MKNK2HRH3ROCK2
SCHEMBL3388421 0.83 NOS3 (0.37) ROCK1ROCK2KCNH2TNK2
SCHEMBL12540028 0.79 ESR2 (0.35) MEN1KMT2A
SCHEMBL12540026 0.79 ESR2 (0.35) MEN1KMT2A
SCHEMBL4142576 0.76 MKNK1 (0.42) ROCK1MKNK1MKNK2HRH3TLR9
SCHEMBL30769910 0.75 TLR9 (0.43) ROCK1MKNK1MKNK2HRH3TLR9
SCHEMBL2244757 0.75 TLR9 (0.43) ROCK1MKNK1MKNK2HRH3TLR9
Hydrochloric Acid SCHEMBL27035336 0.74 HTR2C (0.42) ROCK1MKNK1MKNK2HRH3TLR9
SCHEMBL28076460 0.72 HRH4 (0.41) ROCK1MKNK1MKNK2HRH3TLR9

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-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 — — CN disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 — — WO disclosed
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