SCHEMBL27718208

SCHEMBL27718208

Cc1nc(Nc2cc[nH]n2)cc(C(N)=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TYK2 P29597 5/20 0.34
▸ PARP1 P09874 4/20 0.34
▸ JAK2 O60674 4/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ CD38 P28907 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ DHODH Q02127 1/20 0.31

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
SCHEMBL28423225 0.80 AURKA (0.44) SYK
SCHEMBL27718225 0.69 KMT2A (0.39) —
SCHEMBL25781766 0.69 PIM1 (0.40) KDM4ETYK2PARP1JAK2JAK1
SCHEMBL27913740 0.69 ADORA3 (0.45) PARP1
SCHEMBL1272593 0.68 — —
SCHEMBL342602 0.65 RAB9A (0.39) KDM4E
SCHEMBL10126699 0.64 EML4 (0.34) TYK2SYK
SCHEMBL402279 0.64 — —
SCHEMBL16247169 0.63 KDM4E (0.47) NNMTKDM4EPARP1MAP4K4SYK
SCHEMBL2832331 0.63 ALDH1A1 (0.59) KDM4EDHODH

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
CN-101103017-A Novel aminopyridine derivatives having Aurora-A selective inhibitory action BANYU PHARMA CO LTD (JP) 2008-01-09 — — CN disclosed
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