SCHEMBL9038730

SCHEMBL9038730

Cc1cccnc1NC=C(C#N)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ FDPS P14324 4/20 0.34
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL9038722 1.00 MAPT (0.43) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9599085 0.86 GAA (0.33) MAPTCYP1A2CYP2C19CYP2D6MAPK1
SCHEMBL9596670 0.81 HTT (0.46) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9597473 0.81 MAPT (0.41) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9595515 0.79 MAPT (0.48) MAPTCYP1A2CYP2C19RAB9ANPC1
SCHEMBL9599145 0.78 PPIA (0.43) —
SCHEMBL9595934 0.76 KMT2A (0.45) MAPTRAB9ANPC1KDM4EL3MBTL1
SCHEMBL9594788 0.74 RAB9A (0.39) MAPTRAB9ANPC1KDM4EHTT
SCHEMBL9603546 0.74 KMT2A (0.41) MAPTRAB9ANPC1KDM4EFDPS
SCHEMBL10993495 0.73 GAA (0.32) MAPTKMT2AGAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385634-B1 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEM IND LTD (JP) 1996-04-24 — — EP disclosed
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
US-5081243-A Process for producing 3-tetrazolyl pyrido[1,2-a]pyrimidine derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 — — US disclosed
EP-0385634-A2 Process for producing pyrido[1,2-a] pyrimidine derivative WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-09-05 — — EP disclosed
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