SCHEMBL14983704

SCHEMBL14983704

Cc1cnc(NCCN)nc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 9/20 0.48
▸ SYK P43405 6/20 0.45
▸ ZAP70 P43403 3/20 0.44
▸ KCNH2 Q12809 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ STK17B O94768 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ RXRA P19793 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36

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
SCHEMBL14983698 0.81 GAA (0.50) RXRAGRIN1GRIN2BP2RX3P2RX2
SCHEMBL25075278 0.76 SYK (0.46) STK17ASYKZAP70KCNH2AURKB
SCHEMBL10517407 0.74 KDM4E (0.40) STK17ASYKRXRAGRIN1GRIN2B
SCHEMBL31590759 0.74 KDM4E (0.40) STK17ASYKRXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL27685771 0.72 ALDH1A1 (0.39) RXRAGRIN1GRIN2B
SCHEMBL18679035 0.72 CXCR4 (0.41) STK17ASYKZAP70KCNH2AURKB
SCHEMBL14983677 0.71 RAB9A (0.42) RXRAGRIN1GRIN2B
SCHEMBL12638743 0.71 SORT1 (0.36) SYKRXRAGRIN1GRIN2B
SCHEMBL17563730 0.71 CXCR4 (0.46) STK17ASYKZAP70KCNH2AURKB
SCHEMBL13034199 0.70 CXCR4 (0.54) SYKZAP70CXCR4

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
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 — — CN disclosed
WO-2013078254-A1 BICYCLIC HETEROARYL DERIVATIVES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-05-30 — — WO disclosed
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