SCHEMBL19336087

SCHEMBL19336087

CNc1c(-c2cc(F)cc(NCCN(C)C)c2)ccnc1NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 6/20 0.46
▸ TGFBR1 P36897 1/20 0.42
▸ CLK2 P49760 12/20 0.42
▸ CLK3 P49761 11/20 0.42
▸ DYRK1A Q13627 11/20 0.42
▸ MAP4K4 O95819 1/20 0.37

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
SCHEMBL17555701 0.74 MAP4K4 (0.48) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17555612 0.69 MAP4K4 (0.41) WNT1CLK2CLK3DYRK1AMAP4K4
SCHEMBL17629075 0.69 MAP4K4 (0.43) WNT1CLK2CLK3DYRK1AMAP4K4
SCHEMBL17568762 0.68 MAP4K4 (0.48) WNT1CLK2CLK3DYRK1AMAP4K4
SCHEMBL20966019 0.67 WNT1 (0.63) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17588944 0.65 MAP4K4 (0.48) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17567118 0.65 CLK2 (0.44) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL15301579 0.64 CLK2 (0.44) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL17562434 0.63 NOS2 (0.43) CLK2CLK3DYRK1AMAP4K4
SCHEMBL17555868 0.62 MAP4K4 (0.43) WNT1CLK2CLK3DYRK1AMAP4K4

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-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 — — US disclosed
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