SCHEMBL18238111

SCHEMBL18238111

NC(=O)C=Cc1c[nH]c2ncc(-c3ccc(Oc4ccc(F)cc4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.46
▸ MAP3K7 O43318 2/20 0.45
▸ TAB1 Q15750 2/20 0.45
▸ AAK1 Q2M2I8 3/20 0.44
▸ CLK1 P49759 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ DYRK2 Q92630 2/20 0.43
▸ DYRK1B Q9Y463 2/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAP3K11 Q16584 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CAMKK2 Q96RR4 2/20 0.43
▸ AXL P30530 3/20 0.41
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL16945218 1.00 KIT (0.46) KITMAP3K7TAB1AAK1CLK1
SCHEMBL16945244 0.91 MAP3K7 (0.56) MAP3K7TAB1DYRK1ACLK2CLK4
SCHEMBL18238700 0.91 MAP3K7 (0.56) MAP3K7TAB1DYRK1ACLK2CLK4
SCHEMBL18250572 0.90 KIT (0.46) KITAAK1CLK1DYRK1ADYRK2
SCHEMBL16932979 0.86 KIT (0.55) KITMAP3K7TAB1AAK1DYRK1A
SCHEMBL16932982 0.86 KIT (0.55) KITMAP3K7TAB1AAK1DYRK1A
SCHEMBL16949130 0.83 MAP3K7 (0.43) KITMAP3K7TAB1AAK1CLK1
SCHEMBL18238903 0.83 MAP3K7 (0.43) KITMAP3K7TAB1AAK1CLK1
SCHEMBL16945263 0.82 MAP3K7 (0.54) KITMAP3K7TAB1DYRK1ACLK2
SCHEMBL18238686 0.82 MAP3K7 (0.54) KITMAP3K7TAB1DYRK1ACLK2

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-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
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