SCHEMBL19447285

SCHEMBL19447285

CNc1cccc(C(C)Nc2cncc(-c3cccc(N4CCOCC4)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.51
PFKFB3 Q16875 1/20 0.48
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
ATR Q13535 1/20 0.43
CAMK2D Q13557 1/20 0.42
CSF1R P07333 5/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
IDH1 O75874 1/20 0.40
PIK3CA P42336 1/20 0.39
SOS1 Q07889 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
ITK Q08881 1/20 0.38

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
SCHEMBL19447273 0.88 BRAF (0.49) BRAFPFKFB3LDHALDHBATR
SCHEMBL19447192 0.84 CSF1R (0.61) BRAFLDHALDHBATRCSF1R
SCHEMBL13340266 0.84 CSF1R (0.61) BRAFLDHALDHBATRCSF1R
SCHEMBL13340424 0.82 CSF1R (0.57) BRAFLDHALDHBATRCSF1R
SCHEMBL19447170 0.81 CSF1R (0.63) BRAFPFKFB3LDHALDHBATR
SCHEMBL13340416 0.81 CSF1R (0.63) BRAFPFKFB3LDHALDHBATR
SCHEMBL13340280 0.81 CSF1R (0.63) BRAFCSF1R
SCHEMBL19447292 0.81 LDHA (0.63) BRAFPFKFB3LDHALDHBCSF1R
SCHEMBL19447228 0.81 CSF1R (0.65) BRAFLDHALDHBATRCSF1R
SCHEMBL13340410 0.81 CSF1R (0.65) BRAFLDHALDHBATRCSF1R

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-2848610-B1 Inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-10-11 EP disclosed