SCHEMBL18921934

SCHEMBL18921934

CPn1nc(C)c2cc(Nc3ccc(CN4CCN(C)CC4)cc3)cnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.45
▸ TNIK Q9UKE5 5/20 0.43
▸ MAP3K11 Q16584 3/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MELK Q14680 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 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
SCHEMBL12821734 0.81 PDE1B (0.49) AXLMAP3K11ABL1CDK2FLT3
SCHEMBL18921922 0.78 NMT1 (0.48) TNIKMAP3K11NMT1
SCHEMBL12965720 0.78 AXL (0.46) AXLTNIKMAP3K11IKBKBCHUK
SCHEMBL12965705 0.71 TNIK (0.60) AXLTNIKMAP3K11IKBKBCHUK
SCHEMBL14409689 0.70 LMNA (0.59) —
SCHEMBL14887083 0.70 LMNA (0.42) MAP3K11CDK2NMT1JAK2JAK3
SCHEMBL18921930 0.65 HTR6 (0.41) AXLWEE1
SCHEMBL12813489 0.64 AXL (0.77) AXLJAK2
SCHEMBL3338493 0.63 LMNA (0.62) —
SCHEMBL5469332 0.62 FLT1 (0.58) AXLTNIK

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
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 — — US disclosed
US-9669028-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-06-06 — — US disclosed
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