SCHEMBL19670332

SCHEMBL19670332

C[C@@H]1CCN(C)c2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ CREBBP Q92793 3/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ RHOA P61586 2/20 0.39
▸ PRKCQ Q04759 1/20 0.37
▸ MAP3K7 O43318 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL19670659 0.93 DYRK1A (0.34) BRAFCCR3WNT1GSK3BDYRK1A
SCHEMBL19670492 0.88 DYRK1A (0.42) WNT1GSK3BDYRK1A
SCHEMBL19670434 0.88 DYRK1A (0.34) BRAFCCR3WNT1GSK3BDYRK1A
SCHEMBL19365415 0.86 BRAF (0.41) BRAFCCR3CREBBPBRD4RHOA
SCHEMBL16249978 0.86 CREBBP (0.42) BRAFCCR3CREBBPBRD4RHOA
SCHEMBL16776407 0.85 CREBBP (0.44) BRAFCCR3CREBBPBRD4RHOA
SCHEMBL17618855 0.84 CCR3 (0.41) BRAFCCR3CREBBPBRD4RHOA
SCHEMBL19670660 0.83 HDAC3 (0.37) BRAFCREBBPBRD4RHOAIRAK4
SCHEMBL19865057 0.83 RHOA (0.41) BRAFCCR3CREBBPBRD4RHOA
SCHEMBL19670284 0.83 BRAF (0.41) BRAFCCR3CREBBPBRD4RHOA

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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