SCHEMBL19670338

SCHEMBL19670338

C[C@@H]1CCN(C)c2ccc(N3CCCN(CC(F)(F)F)CC3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ DYRK1A Q13627 6/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ CASR P41180 1/20 0.37
▸ WNT1 P04628 4/20 0.37
▸ CREBBP Q92793 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL16776427 0.88 BRD4 (0.40) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL17618864 0.87 RHOA (0.43) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19669981 0.87 RHOA (0.44) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19670333 0.87 RHOA (0.44) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19365853 0.82 RHOA (0.38) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19365415 0.80 BRAF (0.41) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19670332 0.78 BRAF (0.41) CCR3RHOADYRK1AGSK3BCASR
SCHEMBL19865057 0.76 RHOA (0.41) CCR3RHOADYRK1AGSK3BWNT1
SCHEMBL19670350 0.76 RHOA (0.45) CCR3RHOACASRCREBBPBRD4
SCHEMBL16775749 0.76 DGAT2 (0.43) CCR3RHOADYRK1AGSK3BCASR

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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