SCHEMBL20865254

SCHEMBL20865254

C[C@]12OC(C[C@]1(O)C(=O)NCCCCN)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.74
▸ KDR P35968 7/20 0.74
▸ PRKCQ Q04759 6/20 0.74
▸ PRKD3 O94806 5/20 0.74
▸ PRKCA P17252 5/20 0.74
▸ PRKCH P24723 5/20 0.74
▸ PRKCI P41743 5/20 0.74
▸ PRKCE Q02156 5/20 0.74
▸ PRKCD Q05655 5/20 0.74
▸ PRKD1 Q15139 5/20 0.74
▸ PRKCG P05129 4/20 0.74
▸ PRKCB P05771 4/20 0.74
▸ PRKCZ Q05513 4/20 0.74
▸ MAP3K11 Q16584 5/20 0.72
▸ FLT3 P36888 5/20 0.72
▸ MYLK Q15746 4/20 0.72
▸ MAP3K9 P80192 4/20 0.72
▸ MAP3K10 Q02779 4/20 0.72
▸ CDK4 P11802 3/20 0.72
▸ CDK2 P24941 3/20 0.72

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
SCHEMBL14825404 0.91 PRKCQ (0.78) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865256 0.91 PRKCQ (0.71) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865257 0.90 PRKCQ (0.70) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865122 0.90 PRKCQ (0.71) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL21132751 0.89 NTRK1 (0.85) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL21132411 0.89 NTRK1 (0.85) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865121 0.88 LMTK3 (0.70) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865255 0.88 PRKCQ (0.73) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865114 0.87 LMTK3 (0.71) NTRK1KDRPRKCQPRKD3PRKCA
SCHEMBL20865113 0.87 LMTK3 (0.69) NTRK1KDRPRKCQPRKD3PRKCA

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
WO-2019067396-A1 ZAP-70 KINASE INHIBITOR COMPOSITIONS, METHODS AND USES THEREOF SNAP BIO, INC. (US) 2019-04-04 — — WO disclosed
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