SCHEMBL2494276

SCHEMBL2494276

Clc1cccc(NCn2nnc3ccccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.59
▸ SLC9A1 P19634 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ GRM2 Q14416 3/20 0.49
▸ TERT O14746 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ AMY1A P0DUB6 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46

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
SCHEMBL2490946 0.84 RPS6KA3 (0.73) RPS6KA3SLC9A1TDP1CYP1A2CYP2C9
SCHEMBL2494163 0.83 RPS6KA3 (0.77) RPS6KA3SLC9A1TDP1CYP1A2CYP2C9
SCHEMBL4590984 0.83 RPS6KA3 (0.59) RPS6KA3SLC9A1PTK2CYP1A2CYP2C9
SCHEMBL2488109 0.83 RAB9A (0.65) RPS6KA3SLC9A1PTK2CYP1A2CYP2C9
SCHEMBL9618157 0.81 RPS6KA3 (0.84) RPS6KA3SLC9A1TDP1CYP1A2CYP2C9
SCHEMBL3342201 0.75 RPS6KA3 (0.73) RPS6KA3SLC9A1PTK2CYP1A2CYP2C9
SCHEMBL2490331 0.75 RPS6KA3 (0.60) RPS6KA3SLC9A1TDP1PTK2CYP1A2
SCHEMBL22375107 0.75 RPS6KA3 (1.00) RPS6KA3SLC9A1CYP1A2CYP2C9CYP2C19
SCHEMBL3403852 0.74 SLC9A1 (0.63) RPS6KA3SLC9A1TDP1CYP1A2CYP2C9
SCHEMBL7261935 0.72 RPS6KA3 (0.53) RPS6KA3PTK2CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 — — US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 — — EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 — — WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 — — US disclosed
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