SCHEMBL9595515

SCHEMBL9595515

N#CC(=CNc1ccccn1)c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ PKM P14618 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ IGF2R P11717 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL9595934 0.81 KMT2A (0.45) MAPTNPSR1CREBBPKDM4ERAB9A
SCHEMBL9603546 0.80 KMT2A (0.41) MAPTNPSR1CREBBPKDM4ERAB9A
SCHEMBL9599085 0.80 GAA (0.33) MAPTNPSR1CREBBPCYP1A2CYP2C9
SCHEMBL9594788 0.80 RAB9A (0.39) MAPTNPSR1CREBBPKDM4EHPGD
SCHEMBL9596037 0.80 ALDH1A1 (0.41) MAPTNPSR1CREBBPKDM4ERAB9A
SCHEMBL9038730 0.79 MAPT (0.43) MAPTNPSR1CREBBPCYP1A2CYP2C9
SCHEMBL9038722 0.79 MAPT (0.43) MAPTNPSR1CREBBPCYP1A2CYP2C9
SCHEMBL8811573 0.78 NPC1 (0.43) MAPTCYP1A2CYP2C9KDM4EHPGD
SCHEMBL8811567 0.78 NPC1 (0.43) MAPTCYP1A2CYP2C9KDM4EHPGD
SCHEMBL4318524 0.76 GAA (0.43) MAPTKDM4EHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016076-A1 3-(1H^_-TETRAZOL-5-YL)-4H^_-PYRIDO[1,2-A^_]PYRIMIDINE-4-ONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO claimed
WO-1993016076-A1 3-(1H^_-TETRAZOL-5-YL)-4H^_-PYRIDO[1,2-A^_]PYRIMIDINE-4-ONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
WO-1993016070-A1 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
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