SCHEMBL13815443

SCHEMBL13815443

COCC(COC)N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ncc(I)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.33
▸ BRAF P15056 9/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL11991580 1.00 KDR (0.33) KDRBRAFABL1OPRK1KMT2A
SCHEMBL11991522 0.93 ABL1 (0.33) KDRBRAFABL1OPRK1KMT2A
SCHEMBL12763836 0.91 KDR (0.34) KDRBRAFOPRK1KMT2AATM
SCHEMBL11991604 0.89 SMN1; SMN2 (0.34) KDRBRAFABL1
SCHEMBL11991511 0.88 PTK2 (0.32) KDR
SCHEMBL11991607 0.88 THRA (0.32) KDRBRAFABL1
SCHEMBL11991603 0.87 BRAF (0.31) KDRBRAF
SCHEMBL11991579 0.86 PIK3CD (0.37) KDRBRAF
SCHEMBL11991606 0.86 BRAF (0.30) KDRBRAF
SCHEMBL11991494 0.84 ABL1 (0.33) KDRBRAFABL1

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-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — WO disclosed
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