SCHEMBL24340552

SCHEMBL24340552

CCOC(=O)c1cnc(N[C@H]2CC[C@H](OC)CC2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.55
MAPK9 P45984 6/20 0.55
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL14667128 0.86 MAPK8 (0.58) MAPK8MAPK9RAB9AALDH1A1SMN1; SMN2
SCHEMBL30873307 0.86 MAPK8 (0.54) MAPK8MAPK9POLBALDH1A1CDK1
SCHEMBL14657249 0.86 MAPK8 (0.54) MAPK8MAPK9POLBALDH1A1CDK1
SCHEMBL14657251 0.86 MAPK8 (0.54) MAPK8MAPK9POLBALDH1A1CDK1
SCHEMBL24340547 0.83 MAPK8 (0.49) MAPK8MAPK9POLBCDK1CDK4
SCHEMBL29501909 0.79 NR2F2 (0.52) MAPK8MAPK9RAB9ANPSR1NPC1
SCHEMBL26159745 0.79 NR2F2 (0.52) MAPK8MAPK9RAB9ANPSR1NPC1
SCHEMBL26159741 0.79 NR2F2 (0.52) MAPK8MAPK9RAB9ANPSR1NPC1
SCHEMBL20299403 0.79 NR2F2 (0.52) MAPK8MAPK9RAB9ANPSR1NPC1
SCHEMBL29501912 0.79 NR2F2 (0.52) MAPK8MAPK9RAB9ANPSR1NPC1

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
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed