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SCHEMBL17409458

SCHEMBL17409458

O=C(Nc1ccc(C#Cc2ccc3nc(NC(=O)Nc4ccc(F)c(Cl)c4)cn3n2)cc1)Nc1ccc(F)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 18/20 1.00
▸ PDGFRB P09619 11/20 1.00
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL17409451 0.94 KDR (1.00) KDRPDGFRB
SCHEMBL17409457 0.83 KDR (1.00) KDRPDGFRBMEN1LMNAKMT2A
SCHEMBL17409462 0.83 KDR (1.00) KDRPDGFRB
SCHEMBL17424510 0.78 KDR (0.82) KDRPDGFRBMEN1KMT2ANPC1
SCHEMBL17409478 0.77 KDR (1.00) KDRPDGFRB
SCHEMBL17424509 0.76 KDR (0.82) KDRPDGFRBMEN1LMNAKMT2A
SCHEMBL17409453 0.75 KDR (1.00) KDRPDGFRB
SCHEMBL17409452 0.73 KDR (1.00) KDRPDGFRB
SCHEMBL17409455 0.71 KDR (1.00) KDRPDGFRB
SCHEMBL17424507 0.71 KDR (0.77) KDRPDGFRBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 — — US claimed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 — — US disclosed
US-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 — — US disclosed