SCHEMBL28089657

SCHEMBL28089657

CC(C)NC(=O)c1c[nH]c2nc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
SYK P43405 4/20 0.47
JAK2 O60674 8/20 0.44
JAK1 P23458 8/20 0.44
JAK3 P52333 8/20 0.44
ADORA1 P30542 3/20 0.44
CYP2C9 P11712 1/20 0.40
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29644283 0.81 MAP2K1 (0.57) ADORA2AMEN1KMT2A
SCHEMBL26979129 0.81 MAP2K1 (0.57) ADORA2AMEN1KMT2A
SCHEMBL7024233 0.80 ADORA2A (0.50) ADORA2AADORA1MEN1KMT2A
SCHEMBL3554174 0.80 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2A
SCHEMBL20769722 0.78 ADORA2A (0.46) ADORA2AADORA1MEN1KMT2A
SCHEMBL7025897 0.76 ADORA2A (0.52) ADORA2AADORA1MEN1KMT2A
SCHEMBL21676262 0.75 TSHR (0.43)
SCHEMBL4239387 0.75 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2A
SCHEMBL25027560 0.74 AR (0.50) MEN1KMT2A
SCHEMBL29363618 0.74 AR (0.50) MEN1KMT2A

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-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed