SCHEMBL20635943

SCHEMBL20635943

CC1CN(Cc2ccc(-c3cnc4c(c3)c(-c3ccc5[nH]ccc5c3)cn4SI)cc2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 16/20 0.53
▸ IKBKB O14920 2/20 0.50
▸ CHUK O15111 2/20 0.50
▸ ABL1 P00519 2/20 0.50
▸ INSR P06213 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ TNIK Q9UKE5 2/20 0.50
▸ SGK1 O00141 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ PRKAB2 O43741 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ MET P08581 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ FLT1 P17948 1/20 0.50

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
SCHEMBL20634830 0.89 MAP3K11 (0.67) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL25153339 0.86 MAP3K11 (0.56) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL25153340 0.85 MAP3K11 (0.53) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL25153320 0.83 MAP3K11 (0.55) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12065811 0.82 MAP3K11 (0.49) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL20634857 0.82 MAP3K11 (0.49) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL20634236 0.79 MAP3K11 (0.58) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12066036 0.78 MAP3K11 (0.70) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL25153604 0.74 DYRK1A (0.40) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL27923804 0.71 MAP3K11 (0.73) MAP3K11IKBKBCHUKABL1INSR

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-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 — — EP disclosed
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