SCHEMBL20873641

SCHEMBL20873641

Cc1ccnc(NC(=O)c2ccc(-c3nn(C4CC5CN(C(=O)/C=C/CN(C)C)CC5C4)c4ncnc(N)c34)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.63
EGFR P00533 8/20 0.55
LCK P06239 2/20 0.54
ITK Q08881 2/20 0.54
FGFR2 P21802 1/20 0.46
KDR P35968 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
SCHEMBL17065717 1.00 BTK (0.63) BTKEGFRLCKITKFGFR2
SCHEMBL17065778 1.00 BTK (0.63) BTKEGFRLCKITKFGFR2
SCHEMBL20873643 0.93 BTK (0.54) BTKEGFRLCKITKFGFR2
SCHEMBL16594568 0.91 EGFR (0.65) BTKEGFRLCKITKFGFR2
SCHEMBL16594566 0.91 EGFR (0.65) BTKEGFRLCKITKFGFR2
SCHEMBL16594569 0.91 EGFR (0.65) BTKEGFRLCKITKFGFR2
SCHEMBL16594562 0.91 EGFR (0.65) BTKEGFRLCKITKFGFR2
SCHEMBL17065706 0.91 BTK (0.63) BTKEGFR
SCHEMBL17065710 0.91 BTK (0.63) BTKEGFR
SCHEMBL17065673 0.91 BTK (0.77) BTKEGFRLCKITKFGFR2

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
EP-3102579-B1 HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LTD (IN) 2019-04-10 EP claimed