SCHEMBL1867981

SCHEMBL1867981

CCCn1c(Nc2cccc(F)c2)nc(=O)c2c1N=C(C1CCCC1)[N]2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.58
P2RX3 P56373 9/20 0.39
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
CCR2 P41597 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL1867403 0.89 ADORA1 (0.44) ADORA1P2RX3
SCHEMBL1865499 0.81 ADORA1 (0.36) ADORA1
SCHEMBL1872803 0.76 ADORA1 (0.59) ADORA1CCR2
SCHEMBL1871541 0.75 HTT (0.44) ADORA1
SCHEMBL1868403 0.74 ADORA2B (0.35) ADORA1
SCHEMBL1887812 0.74 ADORA2B (0.39) ADORA1
SCHEMBL1868348 0.74 ADORA1 (0.58) ADORA1
SCHEMBL1866236 0.74 ADORA1 (0.41) ADORA1
SCHEMBL1871164 0.74 ADORA1 (0.45) ADORA1
SCHEMBL1874138 0.73 ADORA1 (1.00) ADORA1

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
EP-2499142-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF Advinus Therapeutics Limited (IN) 2012-09-19 EP disclosed
WO-2011055391-A1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-05-12 WO disclosed