SCHEMBL8812445

SCHEMBL8812445

CCOc1cc2ncnc(O)c2cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.58
EGFR P00533 12/20 0.51
ERBB2 P04626 4/20 0.48
FBP1 P09467 6/20 0.47
ERBB4 Q15303 2/20 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
SCHEMBL27136671 0.90 ENPP1 (0.48) ENPP1EGFRERBB2FBP1ERBB4
SCHEMBL24714036 0.88 ENPP1 (0.48) ENPP1EGFRERBB2FBP1ERBB4
SCHEMBL29834779 0.87 ENPP1 (0.46) ENPP1EGFRERBB2FBP1ERBB4
SCHEMBL2476964 0.81 RET (0.55) ENPP1EGFR
SCHEMBL471137 0.81 KDM1A (0.57) EGFR
SCHEMBL27150849 0.81 ENPP1 (0.41) ENPP1EGFRERBB2
SCHEMBL22076878 0.81 FBP1 (0.55) ENPP1EGFRFBP1
SCHEMBL13969805 0.80 ENPP1 (0.59) ENPP1EGFRERBB2FBP1ERBB4
SCHEMBL1013257 0.79 ENPP1 (0.88) ENPP1EGFRERBB2FBP1ERBB4
SCHEMBL13091000 0.79 ENPP1 (0.58) ENPP1EGFRERBB2FBP1ERBB4

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-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed