SCHEMBL19670405

SCHEMBL19670405

CCN1CC[C@@H](C)N(C(=O)Nc2cccc(-c3cnco3)c2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.40
▸ CREBBP Q92793 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ WNT3A P56704 3/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ RHOA P61586 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ GPR142 Q7Z601 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
SCHEMBL19670170 0.88 BRAF (0.40) BRAFCREBBPBRD4CCR3WNT1
SCHEMBL19670429 0.88 BRAF (0.40) BRAFCREBBPBRD4CCR3WNT1
SCHEMBL19670212 0.88 RHOA (0.45) BRAFCREBBPBRD4CCR3GSK3B
SCHEMBL19865050 0.86 HTR2C (0.40) WNT3A
SCHEMBL17618694 0.84 BRAF (0.41) BRAFCREBBPBRD4WNT3ACCR3
SCHEMBL19670540 0.83 DYRK1A (0.36) BRAFWNT3AWNT1GSK3BDYRK1A
SCHEMBL19670328 0.82 DYRK1A (0.44) WNT1GSK3BDYRK1A
SCHEMBL19670512 0.82 BTK (0.37) WNT3ADYRK1A
SCHEMBL19670135 0.81 MEN1 (0.41) BRAF
SCHEMBL19365667 0.80 RHOA (0.43) BRAFCREBBPBRD4CCR3GSK3B

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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