SCHEMBL19894622

SCHEMBL19894622

NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3-c3cncnc3)C[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 1.00
▸ KCNH2 Q12809 2/20 0.76

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
SCHEMBL19894621 1.00 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864650 1.00 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864651 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL19894602 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL19894600 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864670 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561721 0.92 ABL1 (0.85) ABL1KCNH2
SCHEMBL15391754 0.90 ABL1 (0.89) ABL1KCNH2
SCHEMBL16860448 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864649 0.90 ABL1 (1.00) ABL1KCNH2

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
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
Send feedback