SCHEMBL25908487

SCHEMBL25908487

Cc1n[nH]c(C)c1-c1cc(N2C3CCC2COC3)nc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.38
CDK9 P50750 6/20 0.38
LRRK2 Q5S007 3/20 0.36
ATR Q13535 5/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
DPP4 P27487 3/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL25160195 0.80 ATR (0.53) ATRPDE4D
SCHEMBL25908450 0.80 MAP3K7 (0.43) CCNT1CDK9LRRK2PDE10ADPP4
SCHEMBL25908694 0.79 MAP3K7 (0.45) LRRK2ATR
SCHEMBL25908309 0.75 PDE10A (0.49) CCNT1CDK9PDE10A
SCHEMBL25908431 0.66 PIK3CA (0.42) CCNT1CDK9LRRK2ATRPDE4D
SCHEMBL17675348 0.65 MKNK1 (0.40) MKNK1
SCHEMBL26199374 0.63 ATR (0.47) ATRPDE4D
SCHEMBL25160207 0.63 ATR (0.47) ATRPDE4D
SCHEMBL25908555 0.63 MAP3K7 (0.41) LRRK2ATR
SCHEMBL25908696 0.61 MAP3K7 (0.44)

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-2023138343-A1 NEW TYPE PYRAZOLOPYRIMIDINE COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚尧生物科技有限公司 2023-07-27 WO disclosed