SCHEMBL14591081

SCHEMBL14591081

CNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.67
▸ ADORA2A P29274 8/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ ABL2 P42684 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL13649848 0.83 ADORA1 (0.60) ADORA1ADORA2ANPSR1RXFP1MEN1
SCHEMBL4252331 0.82 ADORA1 (0.71) ADORA1ADORA2AEGFR
SCHEMBL4259626 0.81 ADORA1 (0.73) ADORA1ADORA2ALMNA
SCHEMBL3872580 0.80 ADORA1 (0.58) ADORA1ADORA2ANPSR1RXFP1MEN1
SCHEMBL4252889 0.80 ADORA1 (0.67) ADORA1ADORA2ANPSR1RXFP1EGFR
SCHEMBL4250469 0.79 ADORA1 (0.70) ADORA1ADORA2AEGFR
SCHEMBL4259710 0.79 ADORA1 (0.70) ADORA1ADORA2ANPSR1MEN1KMT2A
SCHEMBL4253955 0.78 ADORA1 (0.69) ADORA1ADORA2ANPSR1MEN1KMT2A
SCHEMBL4261130 0.78 ADORA1 (0.76) ADORA1ADORA2A
SCHEMBL15425807 0.78 ADORA1 (0.81) ADORA1ADORA2AEGFR

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
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
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