SCHEMBL10595206

SCHEMBL10595206

CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.46
▸ IDH2 P48735 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PIM1 P11309 7/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ FLT1 P17948 1/20 0.41
▸ FLT4 P35916 1/20 0.41

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
SCHEMBL11392116 0.85 HSD17B10 (0.47) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL10594428 0.81 PIM1 (0.46) JAK2KDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL10855490 0.80 IDH2 (0.44) JAK2IDH2PIM1PLK1PLK3
SCHEMBL10594636 0.76 KMO (0.42) JAK2KDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL10596818 0.74 KDM4E (0.44) JAK2KDM4EALDH1A1PIM1DYRK1A
SCHEMBL21116043 0.73 CSNK1A1 (0.58) IDH2KDM4EALDH1A1PLK1KDR
SCHEMBL3216817 0.73 JAK2 (0.70) JAK2DYRK1ADYRK2GSK3BJAK3
SCHEMBL3300957 0.70 JAK2 (0.50) JAK2KDM4EALDH1A1PLK1KDR
SCHEMBL10596220 0.69 NOS3 (0.38) JAK2KDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL11386388 0.69 KDM4E (0.54) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4

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
US-4579848-A ANTIASTHMA AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-01 — — US claimed
EP-0132851-B1 5-SUBSTITUTED(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2-AMINES AMERICAN CYANAMID COMPANY (US) 1989-10-04 — — EP 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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