SCHEMBL10594550

SCHEMBL10594550

Clc1ccnc(-c2cccc(I)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.40
▸ DHPS P49366 2/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ PDE4A P27815 2/20 0.37
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CLK4 Q9HAZ1 5/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ TP53 P04637 2/20 0.33

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
SCHEMBL8344326 0.82 CYP19A1 (0.54) CYP19A1ALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL27871329 0.79 IRAK4 (0.43) METAP2DHPSPDE4ACHRNB4CHRNA3
SCHEMBL27887540 0.79 PDE4A (0.40) METAP2DHPSCYP19A1PDE4ACHRNB4
SCHEMBL10595789 0.79 RAB9A (0.50) CLK4LMNAMAPK14CYP1A2CYP3A4
SCHEMBL29786739 0.79 RAB9A (0.50) CLK4LMNAMAPK14CYP1A2CYP3A4
SCHEMBL27854208 0.79 KMO (0.44) CYP3A4TP53MAPT
SCHEMBL782769 0.79 CLK4 (0.52) METAP2DHPSCYP19A1PDE4ACHRNB4
SCHEMBL1673203 0.77 LMNA (0.50) LMNASMN1; SMN2MAPK1MAPT
SCHEMBL10594682 0.77 CYP19A1 (0.36) CYP19A1CLK4DYRK1ALMNACYP1A2
SCHEMBL10595730 0.76 CYP1A2 (0.43) CLK4DYRK1ALMNACYP1A2CYP3A4

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
EP-0132851-B1 5-SUBSTITUTED(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2-AMINES AMERICAN CYANAMID COMPANY (US) 1989-10-04 — — EP disclosed
US-4579848-A ANTIASTHMA AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-01 — — US disclosed
EP-0132851-A1 5-Substituted(1,2,4)triazolo(1,5-c)pyrimidin-2-amines AMERICAN CYANAMID COMPANY (US) 1985-02-13 — — EP disclosed
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