SCHEMBL20633183

SCHEMBL20633183

C=C(Nc1ccc2[nH]ncc2c1)N1CCCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ TRPV1 Q8NER1 6/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PIK3CA P42336 4/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL20633005 0.86 LMNA (0.38) MEN1KMT2A
SCHEMBL20633441 0.85 FYN (0.39) MEN1KMT2A
SCHEMBL20632673 0.84 CA2 (0.36) —
SCHEMBL20633162 0.83 AURKA (0.38) MEN1POLBKMT2A
SCHEMBL20632922 0.83 KDM4E (0.36) MEN1KMT2A
SCHEMBL20633401 0.83 HTR2C (0.42) MEN1KMT2AROCK1ROCK2CDC7
SCHEMBL20632193 0.82 FYN (0.37) MEN1KMT2A
SCHEMBL20632643 0.82 CSF1R (0.38) MEN1POLBKMT2ADDR2
SCHEMBL20632046 0.82 CYP1A2 (0.43) MEN1KMT2ATRPV1
SCHEMBL20632024 0.81 RHOA (0.47) —

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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