SCHEMBL28618804

SCHEMBL28618804

Oc1ccc(Br)cc1-c1nc(NCc2cccnc2)c2ccccc2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
EGFR P00533 3/20 0.77
NPSR1 Q6W5P4 2/20 0.77
PKM P14618 1/20 0.77
CYP1A2 P05177 10/20 0.64
CYP3A4 P08684 10/20 0.64
CYP2D6 P10635 9/20 0.64
CYP2C19 P33261 9/20 0.64
ALDH1A1 P00352 8/20 0.64
TSHR P16473 7/20 0.64
HSD17B10 Q99714 7/20 0.64
USP2 O75604 5/20 0.64
ALOX15 P16050 5/20 0.64
MAPK1 P28482 5/20 0.64
CLK4 Q9HAZ1 4/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GLA P06280 1/20 0.64
PDE5A O76074 3/20 0.64
CYP2C9 P11712 3/20 0.64

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
SCHEMBL28611828 0.90 MEN1 (0.73) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL1083926 0.87 MAPT (1.00) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL29754288 0.87 MAPT (1.00) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL28604939 0.85 CYP1A2 (0.78) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL28606239 0.85 EGFR (0.76) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL28604946 0.84 EGFR (0.72) MAPTEGFRNPSR1PKMALDH1A1
SCHEMBL1064854 0.79 CYP1A2 (1.00) MAPTEGFRNPSR1PKMCYP1A2
SCHEMBL7277274 0.78 CYP1A2 (1.00) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL7285873 0.76 PDE5A (0.78) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1084041 0.76 KMT2A (1.00) MAPTEGFRNPSR1PKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248448-A 2-arylamine-4-amino quinazoline compound, preparation method and application thereof 江苏正大丰海制药有限公司 2021-08-13 CN claimed
CN-113248448-A 2-arylamine-4-amino quinazoline compound, preparation method and application thereof 江苏正大丰海制药有限公司 2021-08-13 CN disclosed