SCHEMBL6223588

SCHEMBL6223588

O=C(NC1Cc2ccccc2C1)c1cccnc1NCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.58
▸ ABCB1 P08183 1/20 0.52
▸ RET P07949 2/20 0.51
▸ MAP3K20 Q9NYL2 2/20 0.51
▸ RIPK3 Q9Y572 2/20 0.51
▸ CIT O14578 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ YES1 P07947 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ HCK P08631 1/20 0.51
▸ PDGFRB P09619 1/20 0.51

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
Hydrochloric Acid SCHEMBL449596 0.99 KDR (0.57) KDRABCB1RETMAP3K20RIPK3
SCHEMBL31362683 0.85 KDR (0.67) KDR
SCHEMBL3121697 0.81 KDR (0.56) KDRABCB1RETMAP3K20RIPK3
SCHEMBL3122794 0.81 KDR (0.56) KDRABCB1RETMAP3K20RIPK3
SCHEMBL3106569 0.81 KDR (0.56) KDRABCB1RETMAP3K20RIPK3
SCHEMBL31362674 0.78 KDR (0.69) KDR
SCHEMBL23770322 0.78 TTK (0.45) —
SCHEMBL446540 0.77 KDR (0.62) KDRABCB1
SCHEMBL1715372 0.76 KDR (0.65) KDRABCB1RETMAP3K20RIPK3
SCHEMBL5261234 0.75 KDR (0.62) KDRABCB1RETMAP3K20RIPK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO disclosed
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